SCHEMBL1634119

SCHEMBL1634119

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cc(NS(=O)(=O)c4cccnc4)c4cc[nH]c4c3)nc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.42
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 3/20 0.40
CKS1B P61024 2/20 0.40
SKP2 Q13309 2/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
PIK3CA P42336 4/20 0.39
MTOR P42345 1/20 0.39
SLC40A1 Q9NP59 4/20 0.38
GLO1 Q04760 1/20 0.38
SYK P43405 1/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
BRAF P15056 1/20 0.37
CYP2C9 P11712 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1635722 0.92 PIK3CD (0.45) JAK3PIK3CASYKPIK3CDPIK3CB
SCHEMBL12761598 0.90 JAK3 (0.41) JAK3MAPK1PIK3CASYKPIK3CD
SCHEMBL2271951 0.88 JAK3 (0.43) JAK3CYP3A4PIK3CASYKPIK3CD
SCHEMBL12761355 0.88 JAK3 (0.42) JAK3CKS1BSKP2JAK1PIK3CA
SCHEMBL2282182 0.88 JAK3 (0.42) JAK3JAK2JAK1TYK2PIK3CA
SCHEMBL1635625 0.88 JAK3 (0.41) JAK3MAPK1PIK3CASYKPIK3CD
SCHEMBL1634575 0.88 JAK3 (0.41) JAK3MAPK1PIK3CASYKPIK3CD
SCHEMBL1636178 0.87 JAK3 (0.42) JAK3PIK3CAMTORSYKPIK3CD
SCHEMBL1635030 0.87 JAK3 (0.42) JAK3PIK3CASYKPIK3CDPIK3CB
SCHEMBL1634525 0.87 HTR6 (0.47) JAK3PIK3CASYKPIK3CDPIK3CB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247595-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-07-20 EP claimed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US claimed
EP-2247595-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
EP-2247595-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US disclosed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US disclosed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US disclosed
WO-2009106445-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK1 JAK3 7/4885MAPK1 376/4885CYP3A4 2523/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.